Vitas-M small molecule compound
7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propan-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL323815
SMILES OC(Cn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H22N4O4S MW 390.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O4S/c1-11(2)27-18-19-15-14(16(24)20-17(25)21(15)3)22(18)9-12(23)10-26-13-7-5-4-6-8-13/h4-8,11-12,23H,9-10H2,1-3H3,(H,20,24,25)InChIKey
AEEDLQPEGVNOCF-UHFFFAOYSA-NSynonyms
331675-49-1331675491
7(2HYDROXY3PHENOXYPROPYL)3METHYL8(METHYLETHYLTHIO)137TRIHYDROPURINE26DIONE
7(2hydroxy3phenoxypropyl)3methyl8(propan2ylsulfanyl)37dihydro1Hpurine26dione
7(2HYDROXY3PHENOXYPROPYL)3METHYL8PROPAN2YLSULFANYLPURINE26DIONE
7(2HYDROXY3PHENOXYPROPYL)8(ISOPROPYLTHIO)3METHYL1HPURINE26(3H7H)DIONE
CC(C)SC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C
InChI=1SC18H22N4O4Sc111(2)2718191514(16(24)2017(25)21(15)3)22(18)912(23)1026137546813h48111223H910H213H3(H202425)
MFCD00754451
OC(Cn1c(SC(C)C)nc2c1c(=O)(nH)c(=O)n2C)COc1ccccc1
ZINC000000828790
ZINC000000828791
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